| Name |
Rotundioside P
(-)-Rotundioside P |
| Formula |
C48H80O18 |
| Mw |
944.53446575 |
| CAS RN |
925673-71-8 |
| C_ID |
C00031218
, 
|
| InChIKey |
XPHDHOYBIAHVBU-ACVSYWJONA-N |
| InChICode |
InChI=1S/C48H80O18/c1-21-31(54)34(57)37(66-42-38(35(58)33(56)26(18-49)63-42)65-40-36(59)32(55)24(51)19-61-40)41(62-21)64-30-11-12-45(6)27(44(30,4)5)10-13-46(7)39(45)25(60-9)14-22-23-15-43(2,3)28(52)17-48(23,20-50)29(53)16-47(22,46)8/h14,21,23-42,49-59H,10-13,15-20H2,1-9H3/t21-,23+,24-,25+,26-,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,45+,46-,47-,48-/m1/s1 |
| SMILES |
CO[C@@H]1C=C2[C@@H]3CC(C)(C)[C@H](O)C[C@]3(CO)[C@H](O)C[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apiaceae | Bupleurum rotundifolium  | Ref. |
|
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